N-[[8-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclohexanamine

C20H37NO2 — CID 14326343

IUPACN-[[8-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclohexanamine
SMILESCCC(C)(C)C1CCC2(CC1)OCC(CNC1CCCCC1)O2
InChIInChI=1S/C20H37NO2/c1-4-19(2,3)16-10-12-20(13-11-16)22-15-18(23-20)14-21-17-8-6-5-7-9-17/h16-18,21H,4-15H2,1-3H3
InChIKeyIRTYBNLCRXNPRB-UHFFFAOYSA-N
MW323.52 g/mol
LogP4.65
Rot. Bonds5

About N-[[8-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclohexanamine

N-[[8-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclohexanamine (PubChem CID 14326343) has the molecular formula C20H37NO2 and a molecular weight of 323.52 g/mol. Its IUPAC name is N-[[8-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[[8-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclohexanamine
PubChem CID14326343
Molecular FormulaC20H37NO2
Molecular Weight323.52 g/mol
Exact Mass323.28
IUPAC NameN-[[8-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclohexanamine
SMILESCCC(C)(C)C1CCC2(CC1)OCC(CNC1CCCCC1)O2
InChIInChI=1S/C20H37NO2/c1-4-19(2,3)16-10-12-20(13-11-16)22-15-18(23-20)14-21-17-8-6-5-7-9-17/h16-18,21H,4-15H2,1-3H3
InChIKeyIRTYBNLCRXNPRB-UHFFFAOYSA-N
XLogP4.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.52
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[8-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclohexanamine?
The IUPAC name of N-[[8-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclohexanamine (CID 14326343) is N-[[8-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclohexanamine.
What is the SMILES notation for N-[[8-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclohexanamine?
The canonical SMILES for N-[[8-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclohexanamine is CCC(C)(C)C1CCC2(CC1)OCC(CNC1CCCCC1)O2.
What is the InChIKey of N-[[8-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclohexanamine?
The InChIKey is IRTYBNLCRXNPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO2/c1-4-19(2,3)16-10-12-20(13-11-16)22-15-18(23-20)14-21-17-8-6-5-7-9-17/h16-18,21H,4-15H2,1-3H3.
What are the key properties of N-[[8-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclohexanamine?
N-[[8-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclohexanamine has a molecular weight of 323.52 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclohexanamine is sourced from PubChem (CID 14326343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).